(E)-N-(2-chlorophenyl)-2-cyano-3-(4-hydroxy-3-iodophenyl)prop-2-enamide
Formula:C16H10N2O2ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-chlorophenyl)-2-cyano-3-(4-hydroxy-3-iodophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chlorophenyl)-2-cyano-3-(4-hydroxy-3-iodophenyl)prop-2-enamide |
| MolecularFormula | C16H10N2O2ClI |
| Smiles | N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c(cc1)cc(I)c1O |
| InChI | InChI=1S/C16H10ClIN2O2/c17-12-3-1-2-4-14(12)20-16(22)11(9-19)7-10-5-6-15(21)13(18)8-10/h1-8,21H,(H,20,22) |
| InChIK | GUJJZVIXJCPYSN-UHFFFAOYSA-N |
| TotalMolweight | 424.62 |
| Molweight | 424.62 |
| MonoisotopicMass | 423.947553 |
| CLogP | 3.6857 |
| CLogS | -5.226 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 256.7 |
| Relative PSA | 0.1993 |
| PolarSurfaceArea | 73.12 |
| Druglikeness | -1.1823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(2-chlorophenyl)-2-cyano-3-(4-hydroxy-3-iodophenyl)prop-2-enamide | 2 - (E)-N-(2-chlorophenyl)-2-cyano-3-(4-hydroxy-3-iodophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off